N,N-dibutyl-2-propan-2-ylaniline

C17H29N — CID 67779975

IUPACN,N-dibutyl-2-propan-2-ylaniline
SMILESCCCCN(CCCC)c1ccccc1C(C)C
InChIInChI=1S/C17H29N/c1-5-7-13-18(14-8-6-2)17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyCUEZIPFWLATCFQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.22
Rot. Bonds8

About N,N-dibutyl-2-propan-2-ylaniline

N,N-dibutyl-2-propan-2-ylaniline (PubChem CID 67779975) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,N-dibutyl-2-propan-2-ylaniline.

Molecular Properties

Compound NameN,N-dibutyl-2-propan-2-ylaniline
PubChem CID67779975
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,N-dibutyl-2-propan-2-ylaniline
SMILESCCCCN(CCCC)c1ccccc1C(C)C
InChIInChI=1S/C17H29N/c1-5-7-13-18(14-8-6-2)17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyCUEZIPFWLATCFQ-UHFFFAOYSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
2-(dioctadecylamino)phenol
CID 67178725
N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
2-chloro-N,N-dihexylaniline
CID 139723528
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-propan-2-ylaniline?
The IUPAC name of N,N-dibutyl-2-propan-2-ylaniline (CID 67779975) is N,N-dibutyl-2-propan-2-ylaniline.
What is the SMILES notation for N,N-dibutyl-2-propan-2-ylaniline?
The canonical SMILES for N,N-dibutyl-2-propan-2-ylaniline is CCCCN(CCCC)c1ccccc1C(C)C.
What is the InChIKey of N,N-dibutyl-2-propan-2-ylaniline?
The InChIKey is CUEZIPFWLATCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-13-18(14-8-6-2)17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3.
What are the key properties of N,N-dibutyl-2-propan-2-ylaniline?
N,N-dibutyl-2-propan-2-ylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-propan-2-ylaniline is sourced from PubChem (CID 67779975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).